N. Majeux, Marco Carsi, C. Tenette-Souaille, A. Caflisch
{"title":"Hydrophobicity maps and docking of molecular fragments with solvation","authors":"N. Majeux, Marco Carsi, C. Tenette-Souaille, A. Caflisch","doi":"10.1007/0-306-46883-2_9","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_9","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"36 1","pages":"145-169"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_9","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338846","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions","authors":"T. Davies, J. Tame, R. Hubbard","doi":"10.1007/0-306-46883-2_3","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_3","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"29-42"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Multiple molecular superpositioning as an effective tool for virtual database screening","authors":"C. Lemmen, Marc Zimmermann, Thomas Lengauer","doi":"10.1007/0-306-46883-2_4","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_4","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"43-62"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339103","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Predicting binding modes, binding affinities and ‘hot spots’ for protein-ligand complexes using a knowledge-based scoring function","authors":"H. Gohlke, M. Hendlich, G. Klebe","doi":"10.1007/0-306-46883-2_8","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_8","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"115-144"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_8","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1007/0-306-46883-2_14
J. Gasteiger, M. Pförtner, M. Sitzmann, Robert Höllering, O. Sacher, T. Kostka, Norbert Karg
{"title":"Computer-assisted synthesis and reaction planning in combinatorial chemistry","authors":"J. Gasteiger, M. Pförtner, M. Sitzmann, Robert Höllering, O. Sacher, T. Kostka, Norbert Karg","doi":"10.1007/0-306-46883-2_14","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_14","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"245-264"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339064","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A recursive algorithm for efficient combinatorial library docking","authors":"M. Rarey, Thomas Lengauer","doi":"10.1007/0-306-46883-2_5","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_5","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"63-81"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_5","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339135","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2000-12-01DOI: 10.1007/0-306-46883-2_11
J. Mestres, R. Knegtel
{"title":"Similarity versus docking in 3D virtual screening","authors":"J. Mestres, R. Knegtel","doi":"10.1007/0-306-46883-2_11","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_11","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"1 1","pages":"191-207"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_11","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51338763","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Modifications of the scoring function in FlexX for virtual screening applications","authors":"M. Stahl","doi":"10.1007/0-306-46883-2_6","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_6","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"83-98"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_6","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Virtual screening with solvation and ligand-induced complementarity","authors":"V. Schnecke, L. Kuhn","doi":"10.1023/A:1008737207775","DOIUrl":"https://doi.org/10.1023/A:1008737207775","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"171-190"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1023/A:1008737207775","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"57431082","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A knowledge-based scoring function for protein-ligand interactions: Probing the reference state","authors":"I. Muegge","doi":"10.1007/0-306-46883-2_7","DOIUrl":"https://doi.org/10.1007/0-306-46883-2_7","url":null,"abstract":"","PeriodicalId":92941,"journal":{"name":"Perspectives in drug discovery and design : PD3","volume":"20 1","pages":"99-114"},"PeriodicalIF":0.0,"publicationDate":"2000-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1007/0-306-46883-2_7","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"51339229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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